碱金属氧化物对CaO-Al<sub>2</sub>O<sub>3</sub>保护渣熔体结构和黏性特性的影响

张晓博; 田勇; 刘承军

doi:10.7513/j.issn.1004-7638.2025.04.018

碱金属氧化物对CaO-Al₂O₃保护渣熔体结构和黏性特性的影响

doi: 10.7513/j.issn.1004-7638.2025.04.018

张晓博^{1, 2,},
田勇³,
刘承军⁴

1.
海洋装备用金属材料及其应用国家重点实验室, 辽宁鞍山 114009
2.
鞍钢集团钢铁研究院, 辽宁鞍山 114009
3.
鞍钢集团, 辽宁鞍山 114009
4.
东北大学冶金学院, 辽宁沈阳 110819

基金项目: 中国博士后基金面上项目(2023M730022)；辽宁省科技计划联合计划项目(2023JH2/101800002)。

详细信息

作者简介:
张晓博，1989年出生，男，辽宁鞍山人，博士，汉族，工程师，研究方向：冶金渣系设计，E-mail：neuzhangxb@126.com

中图分类号: TF044,TF777
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- 文章访问数: 41
- HTML全文浏览量: 19
- PDF下载量: 6
- 被引次数: 0
出版历程
- 收稿日期: 2024-12-17
- 网络出版日期: 2025-08-31
- 刊出日期: 2025-08-31

Influence of alkali metal oxides on the melt structure and viscosity properties of CaO-Al₂O₃ based mold flux

1.
State Key Laboratory of Metal Material for Marine Equipment and Application, Anshan 114009, Liaoning, China
2.
Ansteel Iron & Steel Research Institutes, Anshan 114009, Liaoning, China
3.
Ansteel Group corporation Limited, Anshan 114009, Liaoning, China
4.
Northeastern University, School of Metallurgy, Shenyang 110819, Liaoning, China

摘要

摘要: 低反应性CaO-Al₂O₃基保护渣可以大幅降低高铝钢连铸过程中的渣-钢反应强度，但此类保护渣黏度较大，结晶性能较强，易在结晶器弯月面处产生较大渣圈，造成铸坯缺陷。采用分子动力学模拟方法结合黏度测试试验，解析同为碱金属氧化物的Li₂O、Na₂O和K₂O对CaO-Al₂O₃基保护渣熔体结构和黏性特性影响的异同，结果表明，碱金属氧化物对[AlO₄]⁵⁻四面体进行电荷补偿遵循Li₂O<Na₂O<K₂O的顺序，对铝酸盐网络结构的解聚能力遵循Li₂O>Na₂O>K₂O的顺序。
- 保护渣 /
- 铝酸盐 /
- 碱金属 /
- 熔体结构 /
- 黏度
Abstract: Low reactivity CaO-Al₂O₃ based mold flux can significantly reduce the intensity of slag-steel reaction in the continuous casting process of high-alumina steel. But the viscosity of this kind of mold flux is larger and the crystallization performance is stronger, which is easy to produce larger slag rims at the mold meniscus and cause casting defects. In this paper, the molecular dynamics simulation method combined with viscosity test experiment was used to analyze the similarities and differences of the effects of Li₂O, Na₂O and K₂O, which are alkali metal oxides, on the melt structure and viscosity properties of CaO-Al₂O₃ based mold flux. The results show that the charge compensation of [AlO₄]⁵⁻ tetrahedra by alkali metal oxides follows the order of Li₂O<Na₂O<K₂O, and the depolymerization ability of aluminate network structure follows the order of Li₂O>Na₂O>K₂O.
- mold flux /
- aluminates /
- alkali metals /
- melt structure /
- viscosity

HTML全文

图 1 CaO-Al₂O₃基保护渣熔体结构示意

(a)Al-O三配位结构；(b) Al-O四配位结构；(c) Al-O五配位结构

Figure 1. Schematic structure of CaO-Al₂O₃ based mold flux

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图 2 黏度测试装置示意

Figure 2. Schematic diagram of viscosity testing device in the experiment

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图 3 含不同碱性氧化物体系的偏径向分布函数和配位数曲线

偏径向分布函数：(a)CaO-Al₂O₃-Li₂O；(b)CaO-Al₂O₃-Na₂O； (c)CaO-Al₂O₃-K₂O　　配位数曲线： (d) CaO-Al₂O₃-Li₂O； (e) CaO-Al₂O₃-Na₂O； (f) CaO-Al₂O₃-K₂O

Figure 3. Radical distribution function and coordination number curves for systems containing different basic oxides

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图 4 不同碱性氧化物对CaO-Al₂O₃体系中Al-O配位数的影响

Figure 4. Effect of different basic oxides on Al-O coordination number in CaO-Al₂O₃ system

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图 5 不同碱性氧化物对CaO-Al₂O₃体系中氧类型分布的影响

Figure 5. Effect of different basic oxides on the distribution of oxygen types in the CaO-Al₂O₃ system

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图 6 不同碱性氧化物对CaO-Al₂O₃体系中Qⁿ结构单元分布的影响

Figure 6. Effect of different basic oxides on the distribution of Qⁿ structural units in the CaO-Al₂O₃ system

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图 7 不同碱性氧化物对CaO-Al₂O₃体系中键角分布的影响

(a)O-Al-O键角分布；(b)Al-O-Al键角分布

Figure 7. Effect of different basic oxides on bond angle distribution in CaO-Al₂O₃ system

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图 8 不同碱性氧化物对CaO-Al₂O₃保护渣黏度-温度曲线的影响

Figure 8. Effect of different basic oxides on the viscosity-temperature curve of CaO-Al₂O₃ mold flux

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表 1 配加不同碱金属氧化物(Li₂O、Na₂O、K₂O)体系的分子动力学模拟体系组成

Table 1. Composition of molecular dynamics simulation system with different alkali metal oxides (Li₂O, Na₂O, K₂O) systems

	质量分数/%					粒子数量/个						密度/（g·cm⁻³）
	CaO	Al₂O₃	Li₂O	Na₂O	K₂O	CaO	Al₂O₃	Li₂O	Na₂O	K₂O	总数	密度/（g·cm⁻³）
1	50	50				2107	1157				9999	2.77
2	48	48	4			1 920	1055	295			10000	2.70
3	48	48		4		2 009	1104		154		10000	2.72
4	48	48			4	2 042	1122			102	10000	2.74

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表 2 分子动力学模拟中采用的Buckingham势参数^[21-23]

Table 2. Buckingham potential parameters used in molecular dynamics simulations

粒子对	A_ij/eV	ρ_ij/nm	C_ij×10⁶/(eV·nm⁶)
Li-O	37795.00	0.0165	4.34
Na-O	282278.80	0.016	8.67
K-O	2149947.00	0.0165	13.00
Ca-O	717827.00	0.0165	8.67
Al-O	86057.58	0.0165	0.00
O-O	1497049.00	0.017	17.34

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表 3 黏度测试用保护渣化学成分

Table 3. Chemical compositions of mold flux for viscosity test %

	CaO	Al₂O₃	Li₂O	Na₂O	K₂O	CaF₂	B₂O₃
1	40	40				10	10
2	38	38	4			10	10
3	38	38		4		10	10
4	38	38			4	10	10

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